1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

C22H19ClN4O2 — CID 135654543

IUPAC1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H19ClN4O2/c1-2-11-26-17-9-5-3-7-14(17)22(21(26)29)12-19(28)25-20-15(22)13-24-27(20)18-10-6-4-8-16(18)23/h3-10,13H,2,11-12H2,1H3,(H,25,28)
InChIKeyWFUJZVGTXOUWLZ-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.91
Rot. Bonds3

About 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione

1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (PubChem CID 135654543) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
PubChem CID135654543
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione
SMILESCCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C22H19ClN4O2/c1-2-11-26-17-9-5-3-7-14(17)22(21(26)29)12-19(28)25-20-15(22)13-24-27(20)18-10-6-4-8-16(18)23/h3-10,13H,2,11-12H2,1H3,(H,25,28)
InChIKeyWFUJZVGTXOUWLZ-UHFFFAOYSA-N
XLogP3.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The IUPAC name of 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione (CID 135654543) is 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The canonical SMILES for 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is CCCN1C(=O)C2(CC(=O)Nc3c2cnn3-c2ccccc2Cl)c2ccccc21.
What is the InChIKey of 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
The InChIKey is WFUJZVGTXOUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-2-11-26-17-9-5-3-7-14(17)22(21(26)29)12-19(28)25-20-15(22)13-24-27(20)18-10-6-4-8-16(18)23/h3-10,13H,2,11-12H2,1H3,(H,25,28).
What are the key properties of 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione?
1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione has a molecular weight of 406.87 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1'-propylspiro[5,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-2',6-dione is sourced from PubChem (CID 135654543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).